Information card for entry 7021758

Structure parameters

• Formula: C10 H12 N O5 P
• Calculated formula: C10 H12 N O5 P
• SMILES: P(=O)([O-])(O)Cc1c2ccc[nH+]c2c(O)cc1.O
• Title of publication: Phosphonates containing 8-hydroxyquinoline moiety and their metal complexes: structures, fluorescent and magnetic properties.
• Authors of publication: Cao, Deng-Ke; Liu, Bei; Gu, Yan-Wei; Feng, Jia-Qi; Zhao, Yue
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 34
• Pages of publication: 12228 - 12237
• a: 7.234 ± 0.0012 Å
• b: 7.9678 ± 0.0013 Å
• c: 18.53 ± 0.003 Å
• α: 90°
• β: 95.247 ± 0.003°
• γ: 90°
• Cell volume: 1063.6 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0951
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1705
• Weighted residual factors for all reflections included in the refinement: 0.1861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No